4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol

C17H13FN2O2 — CID 136533700

IUPAC4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
SMILESCc1ccc(-c2noc(C=Cc3ccc(O)cc3)n2)cc1F
InChIInChI=1S/C17H13FN2O2/c1-11-2-6-13(10-15(11)18)17-19-16(22-20-17)9-5-12-3-7-14(21)8-4-12/h2-10,21H,1H3
InChIKeyXCMNMIBSXZBEDT-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.06
Rot. Bonds3

About 4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol

4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol (PubChem CID 136533700) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
PubChem CID136533700
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
SMILESCc1ccc(-c2noc(C=Cc3ccc(O)cc3)n2)cc1F
InChIInChI=1S/C17H13FN2O2/c1-11-2-6-13(10-15(11)18)17-19-16(22-20-17)9-5-12-3-7-14(21)8-4-12/h2-10,21H,1H3
InChIKeyXCMNMIBSXZBEDT-UHFFFAOYSA-N
XLogP4.06
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol?
The IUPAC name of 4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol (CID 136533700) is 4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol.
What is the SMILES notation for 4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol?
The canonical SMILES for 4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol is Cc1ccc(-c2noc(C=Cc3ccc(O)cc3)n2)cc1F.
What is the InChIKey of 4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol?
The InChIKey is XCMNMIBSXZBEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-11-2-6-13(10-15(11)18)17-19-16(22-20-17)9-5-12-3-7-14(21)8-4-12/h2-10,21H,1H3.
What are the key properties of 4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol?
4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol has a molecular weight of 296.30 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol is sourced from PubChem (CID 136533700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).